SCHEMBL5529652

SCHEMBL5529652

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2nc(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.34
CENPE Q02224 1/20 0.34
NR1I3 Q14994 1/20 0.33
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIN1 Q13526 1/20 0.33
CCR9 P51686 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAOB P27338 1/20 0.32
ESRRB O95718 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TBXA2R P21731 1/20 0.32
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5530770 0.92 GRM5 (0.38) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5530101 0.90 TRPM8 (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5527638 0.89 TP53 (0.40) ESRRGCENPEPIN1CCR9MEN1
SCHEMBL5529262 0.88 HDAC6 (0.35) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL3273410 0.88 CDK8 (0.34) ESRRGCENPENR1I3CDK8CLK4
SCHEMBL5526790 0.87 SLC2A1 (0.36) CDK8PIN1MEN1KMT2ACYP1A2
SCHEMBL5529637 0.84 ATM (0.36)
SCHEMBL5531707 0.84 GRM5 (0.36) ESRRGCENPEPIN1NR1H4ESRRB
SCHEMBL1385947 0.84 ESRRG (0.36) ESRRGCENPENR1H4MAOBESRRB
SCHEMBL5529673 0.83 CDK8 (0.35) ESRRGCENPECDK8PIN1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US claimed
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi APOB, CETP, LIPC ESRRG 2624/4885CENPE 4612/4885NR1I3 350/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.